2-(oxolan-2-yl)-N-prop-2-ynylacetamide

C9H13NO2 — CID 60769102

IUPAC2-(oxolan-2-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1CCCO1
InChIInChI=1S/C9H13NO2/c1-2-5-10-9(11)7-8-4-3-6-12-8/h1,8H,3-7H2,(H,10,11)
InChIKeyXYSLIHPQLWNPEN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.30
Rot. Bonds3

About 2-(oxolan-2-yl)-N-prop-2-ynylacetamide

2-(oxolan-2-yl)-N-prop-2-ynylacetamide (PubChem CID 60769102) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-prop-2-ynylacetamide
PubChem CID60769102
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(oxolan-2-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1CCCO1
InChIInChI=1S/C9H13NO2/c1-2-5-10-9(11)7-8-4-3-6-12-8/h1,8H,3-7H2,(H,10,11)
InChIKeyXYSLIHPQLWNPEN-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide
CID 130626703
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
N-ethyl-2-(oxetan-2-yl)acetamide
CID 146215054
4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one
CID 116589479
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-prop-2-ynylacetamide (CID 60769102) is 2-(oxolan-2-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)-N-prop-2-ynylacetamide?
The InChIKey is XYSLIHPQLWNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-10-9(11)7-8-4-3-6-12-8/h1,8H,3-7H2,(H,10,11).
What are the key properties of 2-(oxolan-2-yl)-N-prop-2-ynylacetamide?
2-(oxolan-2-yl)-N-prop-2-ynylacetamide has a molecular weight of 167.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 60769102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).